- InChI
- InChI=1S/C13H20O4/c1-3-5-7-11-17-13(15)9-8-12(14)16-10-6-4-2/h3,8-9H,1,4-7,10-11H2,2H3/b9-8+
- InChI Key
- UPWPLXAPKLFNSX-CMDGGOBGSA-N
- Formula
- C13H20O4
- SMILES
- C=CCCCOC(=O)C=CC(=O)OCCCC
- Molecular Weight1
- 240.30
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7265 | Relay (1.0) Calculated Property | |
| ΔfG° | -394.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -739.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.395 | Crippen Calculated Property | |
| McVol | 200.310 | ml/mol | McGowan Calculated Property |
| Pc | 1792.42 | kPa | Joback Calculated Property |
| Inp | [1679.00; 1679.00] |
|
|
| Inp | 1679.00 | NIST | |
| Inp | 1679.00 | NIST | |
| Tboil | 562.93 | K | Relay (1.0) Calculated Property |
| Tc | 719.84 | K | Relay (1.0) Calculated Property |
| Tfus | 238.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.728 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [513.46; 589.77] | J/mol×K | [614.32; 794.51] |
|
| Cp,gas | 513.46 | J/mol×K | 614.32 | Joback Calculated Property |
| Cp,gas | 528.02 | J/mol×K | 644.35 | Joback Calculated Property |
| Cp,gas | 541.82 | J/mol×K | 674.38 | Joback Calculated Property |
| Cp,gas | 554.88 | J/mol×K | 704.41 | Joback Calculated Property |
| Cp,gas | 567.21 | J/mol×K | 734.44 | Joback Calculated Property |
| Cp,gas | 578.84 | J/mol×K | 764.48 | Joback Calculated Property |
| Cp,gas | 589.77 | J/mol×K | 794.51 | Joback Calculated Property |
| η | [0.0001002; 0.0031954] | Pa×s | [314.09; 614.32] |
|
| η | 0.0031954 | Pa×s | 314.09 | Joback Calculated Property |
| η | 0.0012071 | Pa×s | 364.13 | Joback Calculated Property |
| η | 0.0005769 | Pa×s | 414.17 | Joback Calculated Property |
| η | 0.0003233 | Pa×s | 464.20 | Joback Calculated Property |
| η | 0.0002028 | Pa×s | 514.24 | Joback Calculated Property |
| η | 0.0001382 | Pa×s | 564.28 | Joback Calculated Property |
| η | 0.0001002 | Pa×s | 614.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, butyl pent-4-enyl ester.
Sources
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